3,4-difluoro-2-(2-methoxyphenyl)sulfanylaniline

C13H11F2NOS — CID 55085835

IUPAC3,4-difluoro-2-(2-methoxyphenyl)sulfanylaniline
SMILESCOc1ccccc1Sc1c(N)ccc(F)c1F
InChIInChI=1S/C13H11F2NOS/c1-17-10-4-2-3-5-11(10)18-13-9(16)7-6-8(14)12(13)15/h2-7H,16H2,1H3
InChIKeyUMGXOFIMIKEGTD-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.71
Rot. Bonds3

About 3,4-difluoro-2-(2-methoxyphenyl)sulfanylaniline

3,4-difluoro-2-(2-methoxyphenyl)sulfanylaniline (PubChem CID 55085835) has the molecular formula C13H11F2NOS and a molecular weight of 267.30 g/mol. Its IUPAC name is 3,4-difluoro-2-(2-methoxyphenyl)sulfanylaniline.

Molecular Properties

Compound Name3,4-difluoro-2-(2-methoxyphenyl)sulfanylaniline
PubChem CID55085835
Molecular FormulaC13H11F2NOS
Molecular Weight267.30 g/mol
Exact Mass267.05
IUPAC Name3,4-difluoro-2-(2-methoxyphenyl)sulfanylaniline
SMILESCOc1ccccc1Sc1c(N)ccc(F)c1F
InChIInChI=1S/C13H11F2NOS/c1-17-10-4-2-3-5-11(10)18-13-9(16)7-6-8(14)12(13)15/h2-7H,16H2,1H3
InChIKeyUMGXOFIMIKEGTD-UHFFFAOYSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-(2-methoxyphenyl)sulfanylphenol
CID 91388635
4-(2-methoxyphenyl)sulfanyl-2-methylaniline
CID 61298004
4-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)aniline
CID 61296725
3-fluoro-5-(2-methoxyphenyl)sulfanylaniline
CID 61298176
2-(2,4-dimethylphenyl)sulfanyl-3,4-difluoroaniline
CID 55085738
3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline
CID 117095722
1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone
CID 10107352
3-fluoro-4-(2-methoxyphenyl)sulfanylbenzonitrile
CID 61296343
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,4-difluoroaniline
CID 55085836
1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone
CID 104613424
2-(2-methoxy-5-methylphenyl)sulfanylaniline
CID 82118800
2-(2-bromophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 63600017

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-(2-methoxyphenyl)sulfanylaniline?
The IUPAC name of 3,4-difluoro-2-(2-methoxyphenyl)sulfanylaniline (CID 55085835) is 3,4-difluoro-2-(2-methoxyphenyl)sulfanylaniline.
What is the SMILES notation for 3,4-difluoro-2-(2-methoxyphenyl)sulfanylaniline?
The canonical SMILES for 3,4-difluoro-2-(2-methoxyphenyl)sulfanylaniline is COc1ccccc1Sc1c(N)ccc(F)c1F.
What is the InChIKey of 3,4-difluoro-2-(2-methoxyphenyl)sulfanylaniline?
The InChIKey is UMGXOFIMIKEGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NOS/c1-17-10-4-2-3-5-11(10)18-13-9(16)7-6-8(14)12(13)15/h2-7H,16H2,1H3.
What are the key properties of 3,4-difluoro-2-(2-methoxyphenyl)sulfanylaniline?
3,4-difluoro-2-(2-methoxyphenyl)sulfanylaniline has a molecular weight of 267.30 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-(2-methoxyphenyl)sulfanylaniline is sourced from PubChem (CID 55085835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).